CID 3425467

154487-83-9

Structural Information

Molecular Formula
C40H96N14
SMILES
C(CCN(CCCN(CCCN)CCCN)CCCN(CCCN)CCCN)CN(CCCN(CCCN)CCCN)CCCN(CCCN)CCCN
InChI
InChI=1S/C40H96N14/c41-15-3-25-51(26-4-16-42)37-11-33-49(34-12-38-52(27-5-17-43)28-6-18-44)23-1-2-24-50(35-13-39-53(29-7-19-45)30-8-20-46)36-14-40-54(31-9-21-47)32-10-22-48/h1-48H2
InChIKey
WAEBEGSYPODNCE-UHFFFAOYSA-N
Compound name
N,N,N',N'-tetrakis[3-[bis(3-aminopropyl)amino]propyl]butane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

69
Patents

772.79425 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 773.80153 306.9
[M+Na]+ 795.78347 339.2
[M+NH4]+ 790.82807 317.1
[M+K]+ 811.75741 330.3
[M-H]- 771.78697 322.1
[M+Na-2H]- 793.76892 314.8
[M]+ 772.79370 317.1
[M]- 772.79480 317.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe